CID 93310

57310-75-5

Structural Information

Molecular Formula
C26H28N2O5
SMILES
C1=CC2=C(C(=C1)OCCOCCOCCOCCOC3=CC=CC4=C3N=CC=C4)N=CC=C2
InChI
InChI=1S/C26H28N2O5/c1-5-21-7-3-11-27-25(21)23(9-1)32-19-17-30-15-13-29-14-16-31-18-20-33-24-10-2-6-22-8-4-12-28-26(22)24/h1-12H,13-20H2
InChIKey
GHYUCQLUMXYVRT-UHFFFAOYSA-N
Compound name
8-[2-[2-[2-(2-quinolin-8-yloxyethoxy)ethoxy]ethoxy]ethoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

76
Patents

448.19983 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.20711 211.4
[M+Na]+ 471.18905 227.5
[M+NH4]+ 466.23365 217.9
[M+K]+ 487.16299 216.9
[M-H]- 447.19255 215.7
[M+Na-2H]- 469.17450 219.7
[M]+ 448.19928 215.1
[M]- 448.20038 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe